N2‐time‐dependent SCF scheme

Ludwik Adamowicz, E. A. McCullough

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

A new procedure for the Fock matrix operator construction is proposed. Its application for RHF calculations on diatomic molecules using Slater orbital basis sets shows that the computation time for the new SCF procedure is proportional to the square of the basis set size.

Original languageEnglish (US)
Pages (from-to)373-381
Number of pages9
JournalInternational Journal of Quantum Chemistry
Volume26
Issue number3
DOIs
StatePublished - 1984
Externally publishedYes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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